CID 43558701

C11H22N3O3S — CID 43558701

IUPAC—
SMILESCS(=O)(=O)NCCNC(=O)CCC1CCC[N]C1
InChIInChI=1S/C11H22N3O3S/c1-18(16,17)14-8-7-13-11(15)5-4-10-3-2-6-12-9-10/h10,14H,2-9H2,1H3,(H,13,15)
InChIKeyCSARFSGCTDYRMY-UHFFFAOYSA-N
MW276.38 g/mol
LogP-0.55
Rot. Bonds7

About CID 43558701

CID 43558701 (PubChem CID 43558701) has the molecular formula C11H22N3O3S and a molecular weight of 276.38 g/mol.

Molecular Properties

Compound NameCID 43558701
PubChem CID43558701
Molecular FormulaC11H22N3O3S
Molecular Weight276.38 g/mol
Exact Mass276.14
IUPAC Name—
SMILESCS(=O)(=O)NCCNC(=O)CCC1CCC[N]C1
InChIInChI=1S/C11H22N3O3S/c1-18(16,17)14-8-7-13-11(15)5-4-10-3-2-6-12-9-10/h10,14H,2-9H2,1H3,(H,13,15)
InChIKeyCSARFSGCTDYRMY-UHFFFAOYSA-N
XLogP-0.55
TPSA89.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 43558701?
The IUPAC name of CID 43558701 (CID 43558701) is not available.
What is the SMILES notation for CID 43558701?
The canonical SMILES for CID 43558701 is CS(=O)(=O)NCCNC(=O)CCC1CCC[N]C1.
What is the InChIKey of CID 43558701?
The InChIKey is CSARFSGCTDYRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N3O3S/c1-18(16,17)14-8-7-13-11(15)5-4-10-3-2-6-12-9-10/h10,14H,2-9H2,1H3,(H,13,15).
What are the key properties of CID 43558701?
CID 43558701 has a molecular weight of 276.38 g/mol, XLogP of -0.55, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 43558701 is sourced from PubChem (CID 43558701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).